| SpectraBase Compound ID | JyDMkfYKgfI |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-8(2)15-12-7-13(14)16-11-5-4-9(3)6-10(11)12/h4-8H,1-3H3 |
| InChIKey | SHWHYYQUYRWMMK-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JR4l1nshN5o |
|---|---|
| Name | 4-(Isopropyl)oxy-6-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c1-8(2)15-12-7-13(14)16-11-5-4-9(3)6-10(11)12/h4-8H,1-3H3 |
| InChIKey | SHWHYYQUYRWMMK-UHFFFAOYSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | C1=C(C)C=C2C(=C1)OC(=O)C=C2OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914106 |